SCHEMBL3554928

SCHEMBL3554928

COc1cc(C)c(S(=O)(=O)Nc2ccccc2CCCc2cccc(C(=O)O)c2)c(C)c1C

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.70
NMT1 P30419 1/20 0.49
RAD52 P43351 1/20 0.48
F2 P00734 1/20 0.46
AVPR1B P47901 2/20 0.44
FABP4 P15090 2/20 0.43
AVPR1A P37288 1/20 0.43
PLG P00747 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5161686 0.91 SLC16A3 (0.59) SLC16A3NMT1RAD52F2AVPR1B
SCHEMBL3555109 0.91 SLC16A3 (0.57) SLC16A3NMT1RAD52F2AVPR1B
SCHEMBL3561807 0.88 SLC16A3 (0.63) SLC16A3RAD52
SCHEMBL3564318 0.86 SLC16A3 (0.63) SLC16A3RAD52TDP1
SCHEMBL3553693 0.85 SLC16A3 (0.54) SLC16A3NMT1RAD52F2AVPR1B
SCHEMBL3563355 0.85 SLC16A3 (0.61) SLC16A3NMT1RAD52F2AVPR1B
SCHEMBL3552935 0.82 SLC16A3 (0.68) SLC16A3
SCHEMBL3560246 0.81 SLC16A3 (0.69) SLC16A3TDP1
SCHEMBL3552087 0.81 SLC16A3 (0.68) SLC16A3
SCHEMBL3562556 0.80 SLC16A3 (0.67) SLC16A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 SLC16A3 425/4885NMT1 1573/4885RAD52 4737/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.